# generated using pymatgen
data_Mn3FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62393431
_cell_length_b   6.62393431
_cell_length_c   3.94745805
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3FeN3
_chemical_formula_sum   'Mn6 Fe2 N6'
_cell_volume   149.99617654
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.82816400  0.65632700  0.25000000  1
  Mn  Mn1  1  0.82816400  0.17183600  0.25000000  1
  Mn  Mn2  1  0.34367300  0.17183600  0.25000000  1
  Mn  Mn3  1  0.17183600  0.34367300  0.75000000  1
  Mn  Mn4  1  0.17183600  0.82816400  0.75000000  1
  Mn  Mn5  1  0.65632700  0.82816400  0.75000000  1
  Fe  Fe6  1  0.66666700  0.33333300  0.75000000  1
  Fe  Fe7  1  0.33333300  0.66666700  0.25000000  1
  N  N8  1  0.82656300  0.65312600  0.75000000  1
  N  N9  1  0.82656300  0.17343700  0.75000000  1
  N  N10  1  0.34687400  0.17343700  0.75000000  1
  N  N11  1  0.17343700  0.34687400  0.25000000  1
  N  N12  1  0.17343700  0.82656300  0.25000000  1
  N  N13  1  0.65312600  0.82656300  0.25000000  1
